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Comparative diversity analysis of Valeriana jatamansi from different areas of Himachal Pradesh, India: A molecular and phytochemical approach 印度喜马偕尔邦不同地区芥蓝多样性比较分析:分子和植物化学方法
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-11-25 DOI: 10.1016/j.bse.2025.105194
Ankita Sharma , Fariha Chowdhary , Suphla Gupta , Devendra Kumar Pandey
{"title":"Comparative diversity analysis of Valeriana jatamansi from different areas of Himachal Pradesh, India: A molecular and phytochemical approach","authors":"Ankita Sharma ,&nbsp;Fariha Chowdhary ,&nbsp;Suphla Gupta ,&nbsp;Devendra Kumar Pandey","doi":"10.1016/j.bse.2025.105194","DOIUrl":"10.1016/j.bse.2025.105194","url":null,"abstract":"<div><div><em>Valeriana jatamansi</em> (Caprifoliaceae) showed medicinal properties like sedative, antioxidant, and anticonvulsive effects due to presence of a phytochemicals such as valerenic acid, valepotriates and essential oils. The plant is endangered due to overharvesting from natural habitats. The present study aims at the assessment of genetic diversity by use of ISSR primers (ISSR03, ISSR16, UBC820, UBC823, UBC834, UBC848, UBC857, UBC866, UBC874) and phytochemical diversity by HPTLC method in 17 population of <em>V. jatamansi</em> (V1–V17) from different regions of Himachal Pradesh. Total documented polymorphic bands were 81 respectively. Polymorphism percentage ranged from 25 % to 100 %. Among all populations studied, the maximum yield of valerenic acid was recorded in Hatu population (0.83 ± 0.01 %). High intra-specific variability was observed. Narkanda population exhibited the highest genetic variability (Shannon's information index, I = 0.43; Nei's genetic diversity, h = 0.27), indicating a genetically robust and stable gene pool. Conversely, accessions from Tisa and Hatu displayed markedly low genetic diversity (I = 0.16–0.18; h = 0.11), suggesting restricted allelic variation and a heightened risk of genetic bottlenecks. High altitude plants showed a high percentage concentration of valerenic acid. Thus, results of present study can be used as paramountly significant tool to assess the presence, quality, purity, and efficacy of the valerenic acid in <em>V. jatamansi</em> and genetic diversity assessment by ISSR markers. The current study would be effective in identification of the elite population of <em>V. jatamansi</em> and developing the conservation strategies.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105194"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145622532","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemical constituents from the twigs and leaves of Viburnum utile Hemsl. (Adoxaceae) and their taxonomic distribution 柞蚕细枝和叶片的化学成分。(Adoxaceae)及其分类分布
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-11-21 DOI: 10.1016/j.bse.2025.105182
Dong-Mei Zhou , Lijin Jiao , Huai-Qin Liu , Bang-Quan Tang , Guo-Bo Xu , Qin-Feng Zhu , Xi-Rong Luo , Shang-Gao Liao , Ling-Ling Yu
{"title":"Chemical constituents from the twigs and leaves of Viburnum utile Hemsl. (Adoxaceae) and their taxonomic distribution","authors":"Dong-Mei Zhou ,&nbsp;Lijin Jiao ,&nbsp;Huai-Qin Liu ,&nbsp;Bang-Quan Tang ,&nbsp;Guo-Bo Xu ,&nbsp;Qin-Feng Zhu ,&nbsp;Xi-Rong Luo ,&nbsp;Shang-Gao Liao ,&nbsp;Ling-Ling Yu","doi":"10.1016/j.bse.2025.105182","DOIUrl":"10.1016/j.bse.2025.105182","url":null,"abstract":"<div><div>A phytochemical study of the twigs and leaves of <em>Viburnum utile</em> Hemsl. led to the isolation of 20 compounds. These comprised four flavonoids (<strong>1</strong>–<strong>4</strong>, with compound <strong>4</strong> identified as a biflavonoid), three coumarins (<strong>5</strong>–<strong>7</strong>), six phenolics (<strong>8</strong>–<strong>13</strong>), one aromatic ester (<strong>14</strong>), one terpenoid ester (<strong>15</strong>), one fatty acid ester (<strong>16</strong>), two tocopherols (<strong>17</strong> and <strong>18</strong>), one norisoprenoid (<strong>19</strong>), and one indole derivative (<strong>20</strong>). Their structures were elucidated by comparison of the <sup>1</sup>H and <sup>13</sup>C NMR spectral data with those reported in the literature. Notably, fourteen compounds (<strong>1</strong>–<strong>3</strong>, <strong>7</strong>–<strong>10</strong>, <strong>13</strong>–<strong>16</strong>, and <strong>18</strong>–<strong>20</strong>) were previously unreported in the Adoxaceae family, and eighteen compounds (<strong>1</strong>–<strong>3</strong>, <strong>5</strong>–<strong>16</strong>, and <strong>18</strong>–<strong>20</strong>) were isolated for the first time from this plant. Furthermore, the taxonomic distribution of these metabolites is reviewed and discussed in a phylogenetic framework.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105182"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145555133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The promising allelopathic potential of Leucaena leucocephala roots is not evidently released 银合欢根的化感作用潜力未得到明显释放
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-12-09 DOI: 10.1016/j.bse.2025.105203
Lucas Girotto, Déborah Yara A.C. Santos
{"title":"The promising allelopathic potential of Leucaena leucocephala roots is not evidently released","authors":"Lucas Girotto,&nbsp;Déborah Yara A.C. Santos","doi":"10.1016/j.bse.2025.105203","DOIUrl":"10.1016/j.bse.2025.105203","url":null,"abstract":"<div><div><em>Leucaena leucocephala</em> is a globally recognized invasive species. This study investigated the allelopathic potential of its root system by evaluating the phytotoxic effects of root extracts and naturally released exudates on selected plant species. Bioassays revealed that root extracts strongly inhibited root and shoot growth in a dose-dependent manner, especially of the native tree <em>Guazuma ulmifolia</em>. In contrast, the exudates caused mild and non-significant effects, including both weak inhibition and stimulation. Reduced photosynthetic pigment contents in affected species confirmed physiological damage linked to growth inhibition. High-performance liquid chromatography identified the toxic amino acid mimosine as a key component of the root extract, with little to no presence in the exudate. This suggests that mimosine acts as an internal metabolite rather than an allelochemical released into the environment. Therefore, although <em>L. leucocephala</em> roots contain toxic metabolites, they are not released into the rhizosphere in significant amounts. These novel results question the direct allelopathic role of these metabolites in natural environments. Laboratory results should be cautiously extrapolated to field conditions, thus, further research that incorporates soil complexity, microbial interactions, and seasonal variability is needed to fully assess the allelopathic mechanisms in leucaena.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105203"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145746951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Altitude-driven variations in the nutritional, mineral, and phytochemical composition of Bombax ceiba L. floral parts: Implications for raw material quality and functional applications 木棉花部营养、矿物质和植物化学成分的海拔变化:对原料质量和功能应用的影响
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-11-26 DOI: 10.1016/j.bse.2025.105195
Neeraj Kumari, Radha, Sunil Puri
{"title":"Altitude-driven variations in the nutritional, mineral, and phytochemical composition of Bombax ceiba L. floral parts: Implications for raw material quality and functional applications","authors":"Neeraj Kumari,&nbsp;Radha,&nbsp;Sunil Puri","doi":"10.1016/j.bse.2025.105195","DOIUrl":"10.1016/j.bse.2025.105195","url":null,"abstract":"<div><div>The present study investigated the impact of altitude on the nutritional, mineral and phytochemical composition of various floral components (flower bud, sepal, petal, and whole flower) of <em>Bombax ceiba</em> L., a traditionally used medicinal plant. The samples were collected from three distinct altitudinal zones (Sirmaur, Kangra, and Solan) in Himachal Pradesh, India. Quantitative analysis revealed significant variations in nutritional parameters such as crude fat, fiber, protein, and carbohydrate contents across different floral parts and altitudes. Inductively coupled plasma optical emission spectroscopy (ICP-OES) analysis revealed that <em>B. ceiba</em> is a rich source of calcium (91.65–314.35 mg/kg) and phosphorus (2407.34–5942.51 mg/kg). Phytochemical profiling revealed a marked increase in phenolics (11.616–67.774 mg GAE/g), flavonoids (3.022–89.022 mg RE/g), tannins (28.234–86.558 mg TAE/g) and saponins (1.809–9.707 mg DE/g) at relatively higher altitudes, with petals and whole flowers from these elevations exhibiting higher phytochemical contents. Gas chromatography-mass spectrometry (GC-MS) analysis of methanolic extracts from high-altitude samples identified 24 bioactive compounds, including terpenes, fatty acids, ketones, alkanes and fatty acid esters, which are common in all floral parts. These compounds are well-known for their antioxidant, anti-inflammatory, and other biological activities. Overall, the results demonstrated that both floral parts and altitude significantly influence the accumulation of nutrients and bioactive compounds. This provides a scientific basis for optimizing the selection of plant parts and collection zones for use in herbal formulations, dietary supplements, and functional food products.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105195"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145622533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigating intraspecific and seasonal essential oil variability in Rosa indica 研究印度蔷薇的种内和季节精油变异
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-11-24 DOI: 10.1016/j.bse.2025.105181
Munmun Kumar Singh , Suyashi Mishra , Uma Shankar , Aransha Maurya , Km Shivani Sahu , Akshita Chakravarty , Rajesh Kumar Verma , Amit Chauhan , Ram Swaroop Verma
{"title":"Investigating intraspecific and seasonal essential oil variability in Rosa indica","authors":"Munmun Kumar Singh ,&nbsp;Suyashi Mishra ,&nbsp;Uma Shankar ,&nbsp;Aransha Maurya ,&nbsp;Km Shivani Sahu ,&nbsp;Akshita Chakravarty ,&nbsp;Rajesh Kumar Verma ,&nbsp;Amit Chauhan ,&nbsp;Ram Swaroop Verma","doi":"10.1016/j.bse.2025.105181","DOIUrl":"10.1016/j.bse.2025.105181","url":null,"abstract":"<div><div><em>Rosa indica</em> L. is widely cultivated in India for its fragrance and ornamental values. In this study, essential oil extracted from the flowers of <em>R. indica</em> collected from seven populations (RI01-RI07) and across various seasons from one of the populations (RI05) was investigated using GC-FID and GC-MS techniques. The essential oil content was found to vary from 0.010 % to 0.038 %. A total of one hundred compounds, comprising up to 98.7 % of the total essential oil composition, were identified. The key constituents of the essential oil were citronellol (15.4–45.4 %), nerol (0.7–10.3 %), and geraniol (0.7–38.8 %). Other notable compounds were <em>n</em>-heneicosane (1.6–8.8 %), <em>n</em>-nonadecane (1.4–5.9 %), <em>n</em>-tricosane (0.2–3.8 %), <em>n</em>-pentacosane (≤0.05–4.9 %), dihydro-<em>β</em>-ionol (0.6–4.7 %), linalool (0.3–5.3 %), 2-phenylethyl acetate (0.8–5.4 %), and 2-phenylethyl alcohol (0.6–1.7 %). The study reports that flower weight, essential oil content, and essential oil composition vary significantly with population and season of collection. Although <em>R. indica</em> flowers throughout the year, it was found that the healthier flowers with a higher essential oil content (0.028 ± 0.002 % to 0.038 ± 0.002 %) were obtained from October to March. The essential oil obtained from October to April had more monoterpene alcohols (60.7–72.6 %) and less saturated aliphatic hydrocarbons (7.9–18.5 %) than the rest of the year. Consequently, processing <em>R. indica</em> during these months may yield a higher-quality essential oil.</div></div><div><h3>Cimap communication number</h3><div>CIMAP/Pub/2025/112.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105181"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145622531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Implications of stem galls for the structure and phytochemistry of Peumus boldus leaves 茎瘿对杜仲叶片结构和植物化学的影响
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-11-25 DOI: 10.1016/j.bse.2025.105197
L.M. Guedes , J. Barriga-Figueroa , A. Bonilla-Guzmán , S. Peñailillo-Vergara , L. Rodríguez-Cerda , L.P. Nobrega , N. Aguilera
{"title":"Implications of stem galls for the structure and phytochemistry of Peumus boldus leaves","authors":"L.M. Guedes ,&nbsp;J. Barriga-Figueroa ,&nbsp;A. Bonilla-Guzmán ,&nbsp;S. Peñailillo-Vergara ,&nbsp;L. Rodríguez-Cerda ,&nbsp;L.P. Nobrega ,&nbsp;N. Aguilera","doi":"10.1016/j.bse.2025.105197","DOIUrl":"10.1016/j.bse.2025.105197","url":null,"abstract":"<div><div><em>Peumus boldus</em> Molina (Monimiaceae) is one of the most widely used medicinal plants in South America. In its stems, the galling insect <em>Dasineura peumi</em> (Diptera; Cecidomyiidae) induces severe anatomical disruption and alters the chemical composition and antioxidant activity of alkaloids and phenolic compounds. However, it remains unknown whether these alterations propagate systemically to the leaves. We hypothesized that this insect also triggers systemic changes in leaves from galled branches, potentially affecting their anatomical structure, biochemical composition, and antioxidant potential. To test this hypothesis, leaves from galled and nongalled branches were analyzed via quantitative assays for phenols, flavonoids, and antioxidant activity, complemented by histochemical staining, anatomical observations, and cytometric comparisons. Our results demonstrated that the structural damage observed in stems does not extend to the leaves, even when they develop above the affected stem region. Nonetheless, both the composition and concentration of polyphenols, including flavonoids, were significantly altered but in contrasting patterns: the total polyphenol content increased in leaves from galled branches, whereas the flavonoid content decreased. Furthermore, stem gall induction modified the profile of the polyphenol subclasses and individual compounds in the leaves. Despite these biochemical shifts, the antioxidant capacity of the leaves remained stable, suggesting a compensatory balance in the antioxidant system of <em>P. boldus</em>. These findings highlight the ecological role of secondary metabolites in mediating plant–insect interactions, providing novel evidence that insect-induced galls on <em>P. boldus</em> stems trigger systemic alterations in the phytochemical profile of the host plant.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105197"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145622534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemical constituents from Sargentodoxa cuneata and their chemotaxonomic significance 刺尾草的化学成分及其化学分类意义
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-12-02 DOI: 10.1016/j.bse.2025.105201
Lu-Shan Li , Huanlai Huang , Jia Yang , Rong-Yuan Deng , Ji-Ye Liang , Zhong-Bo Zhou
{"title":"Chemical constituents from Sargentodoxa cuneata and their chemotaxonomic significance","authors":"Lu-Shan Li ,&nbsp;Huanlai Huang ,&nbsp;Jia Yang ,&nbsp;Rong-Yuan Deng ,&nbsp;Ji-Ye Liang ,&nbsp;Zhong-Bo Zhou","doi":"10.1016/j.bse.2025.105201","DOIUrl":"10.1016/j.bse.2025.105201","url":null,"abstract":"<div><div>Phytochemical investigation of the stems of <em>Sargentodoxa cuneata</em> resulted in the isolation of sixteen compounds, including five phenolic acids (<strong>1</strong>–<strong>5</strong>), four glycosides (<strong>6</strong>–<strong>9</strong>), two flavonoids (<strong>10</strong>–<strong>11</strong>), two phenylpropionic acids (<strong>12</strong>–<strong>13</strong>), one phenolic amide (<strong>14</strong>), one phenylethanoid derivative (<strong>15</strong>), and one unsaturated fatty acid amide (<strong>16</strong>). Their structures were elucidated on the basis of comprehensive spectroscopic analyses, including 1D and 2D NMR, as well as HRESIMS. Among these compounds, compounds <strong>6</strong>, <strong>10</strong> and <strong>16</strong> were obtained from the Lardizabalaceae family for the first time, while compound <strong>7</strong> was reported in <em>S. cuneata</em> for the first time. Additionally, the chemotaxonomic significance of these isolates was discussed in this paper.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105201"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new sesterterpenoid from the mangrove endophytic fungus Aspergillus sp. GXNU JL1A 红树林内生真菌Aspergillus sp. GXNU JL1A中一个新的酯萜类化合物
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-12-14 DOI: 10.1016/j.bse.2025.105205
Xiongtao Yu , Yonghua Wu , Yaming Chen , Shichao Ju , Jinwei Chen , Xishan Huang , Jiguo Huang , Feng Zhou
{"title":"A new sesterterpenoid from the mangrove endophytic fungus Aspergillus sp. GXNU JL1A","authors":"Xiongtao Yu ,&nbsp;Yonghua Wu ,&nbsp;Yaming Chen ,&nbsp;Shichao Ju ,&nbsp;Jinwei Chen ,&nbsp;Xishan Huang ,&nbsp;Jiguo Huang ,&nbsp;Feng Zhou","doi":"10.1016/j.bse.2025.105205","DOIUrl":"10.1016/j.bse.2025.105205","url":null,"abstract":"<div><div>A new sesterterpenoid, curvalarols C (<strong>1</strong>), along with five known meroterpenoids (<strong>2</strong>–<strong>6</strong>), was isolated from the mangrove endophytic fungus <em>Aspergillus</em> sp. JL1A. The planar structure of compound <strong>1</strong> was elucidated by 1D and 2D nuclear magnetic resonance spectroscopy (NMR) and by mass spectrometry (MS). Furthermore, its absolute configuration was unambiguously determined using single-crystal X-ray diffraction analysis. Compound <strong>1</strong> exhibited significant dose-dependent insecticidal activity against the Asian citrus psyllid (<em>Diaphorina citri</em> Kuwayama). Standardized bioassays revealed a mortality rate of 81.21 ± 7.84 % at a concentration gradient of 1000 mg/kg.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105205"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145796620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A new acylated phytosterol glucoside from the stem bark of Acacia polyacantha Willd (Fabaceae): molecular docking studies with phytopathogenic proteins as targets 蚕豆科合欢茎皮中一种新的酰基化植物甾醇糖苷:以植物致病蛋白为靶点的分子对接研究
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-12-23 DOI: 10.1016/j.bse.2025.105210
Jean Faustin Atangana , Lin Marcellin Messi , Hilaire Tendongmo , Aymard Didier Tamafo Fouegue , Bolomigui Boyomo , Joséphine Ngo Mbing , Dieudonné Emmanuel Pegnyemb , Muhammad Iqbal Choudhary , Mohamed Haddad , Olivier Placide Noté
{"title":"A new acylated phytosterol glucoside from the stem bark of Acacia polyacantha Willd (Fabaceae): molecular docking studies with phytopathogenic proteins as targets","authors":"Jean Faustin Atangana ,&nbsp;Lin Marcellin Messi ,&nbsp;Hilaire Tendongmo ,&nbsp;Aymard Didier Tamafo Fouegue ,&nbsp;Bolomigui Boyomo ,&nbsp;Joséphine Ngo Mbing ,&nbsp;Dieudonné Emmanuel Pegnyemb ,&nbsp;Muhammad Iqbal Choudhary ,&nbsp;Mohamed Haddad ,&nbsp;Olivier Placide Noté","doi":"10.1016/j.bse.2025.105210","DOIUrl":"10.1016/j.bse.2025.105210","url":null,"abstract":"<div><div>The phytochemical study of the ethyl acetate soluble fraction of the stem bark of <em>Acacia polyacantha</em> led to the isolation and structural characterization of a new acylated phytosterol glucoside derivative (<strong>1</strong>), together with seven known compounds (<strong>2</strong>-<strong>8</strong>). The structures of the isolated compounds (<strong>1</strong>–<strong>8</strong>) were elucidated using 1D and 2D NMR spectroscopic analyses, HR-ESI mass spectrometry, acid hydrolysis as well as by comparing our outcomes with available data. The targeted fraction (ethyl acetate) was assessed for its potential antifungal activity against seven phytopathogenic fungi and displayed interesting activity against <em>Aspergillus niger, Aspergillus flavus</em> and <em>Pythium myriotylum</em> with IC<sub>50</sub> values of 27.38, 33.78 and 174.16 μg/mL respectively. Molecular docking carried out on compounds <strong>1</strong>, <strong>2</strong> and <strong>3</strong> revealed the pharmacophoric moieties through which these natural products bind the proteins (8RPF, 1FHF, 1IA5) that play an important role in the fungal diseases that attack crops. Results revealed that compound <strong>3,</strong> with binding energy values lower than those of the reference (azoxystrobin), is the most promising of the investigated antifungal natural products.</div></div>","PeriodicalId":8799,"journal":{"name":"Biochemical Systematics and Ecology","volume":"125 ","pages":"Article 105210"},"PeriodicalIF":2.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Limonoid- and tirucallane-type triterpenoids from the twigs and leaves of Toona ciliata (Meliaceae) and their chemotaxonomic significance 香椿(香椿科)细枝和叶中的柠檬烯型和三烯型三萜及其化学分类意义
IF 2 4区 生物学
Biochemical Systematics and Ecology Pub Date : 2026-04-01 Epub Date: 2025-11-28 DOI: 10.1016/j.bse.2025.105200
Rui-Yang Mao , Yong-Qing Yang , Xiao-Yu Deng , Xiao-Fang Zhong
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